6-(phenylmethylsulfanyl)pyridine-2,3-dicarboxylic acid

Systemtic Name: 6-(phenylmethylsulfanyl)pyridine-2,3-dicarboxylic acid Openeye Name: 6-benzylsulfanylpyridine-2,3-dicarboxylic acid CAS Name: 6-(phenylmethylthio)pyridine-2,3-dicarboxylic acid IUPAC Name: 6-benzylsulfanylpyridine-2,3-dicarboxylic acid Traditional Name: 6-(benzylthio)quinolinic acid Formula: C14H11NO4S MolecularWeight: 289.30644

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=NC(=C(C=C2)C(=O)O)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CSC2=NC(=C(C=C2)C(=O)O)C(=O)O

InChI

InChI=1S/C14H11NO4S/c16-13(17)10-6-7-11(15-12(10)14(18)19)20-8-9-4-2-1-3-5-9/h1-7H,8H2,(H,16,17)(H,18,19)